1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol

C14H29N3O — CID 143560412

IUPAC1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCCC(O)C1.CN1CCC(N)CC1
InChIInChI=1S/C8H15NO.C6H14N2/c1-2-5-9-6-3-4-8(10)7-9;1-8-4-2-6(7)3-5-8/h2,8,10H,1,3-7H2;6H,2-5,7H2,1H3
InChIKeyKPMXGKMNGYTFGN-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.67
Rot. Bonds2

About 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol

1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol (PubChem CID 143560412) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol
PubChem CID143560412
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCCC(O)C1.CN1CCC(N)CC1
InChIInChI=1S/C8H15NO.C6H14N2/c1-2-5-9-6-3-4-8(10)7-9;1-8-4-2-6(7)3-5-8/h2,8,10H,1,3-7H2;6H,2-5,7H2,1H3
InChIKeyKPMXGKMNGYTFGN-UHFFFAOYSA-N
XLogP0.67
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol?
The IUPAC name of 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol (CID 143560412) is 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol is C=CCN1CCCC(O)C1.CN1CCC(N)CC1.
What is the InChIKey of 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol?
The InChIKey is KPMXGKMNGYTFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H14N2/c1-2-5-9-6-3-4-8(10)7-9;1-8-4-2-6(7)3-5-8/h2,8,10H,1,3-7H2;6H,2-5,7H2,1H3.
What are the key properties of 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol?
1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol has a molecular weight of 255.41 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-amine;1-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 143560412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).